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	hartrees
Energy at 0K	-369.085020
Energy at 298.15K	-369.091609
HF Energy	-368.852631
Nuclear repulsion energy	58.853479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2559	2402	27.81
2	A₁	2533	2377	51.47
3	A₁	1152	1081	26.00
4	A₁	1068	1002	201.47
5	A₁	525	493	0.01
6	A₂	252	236	0.00
7	E	2623	2462	126.38
7	E	2623	2462	126.38
8	E	2572	2414	19.00
8	E	2572	2414	19.00
9	E	1191	1118	5.44
9	E	1191	1118	5.44
10	E	1156	1085	9.51
10	E	1156	1085	9.51
11	E	889	835	2.13
11	E	889	835	2.13
12	E	402	378	1.49
12	E	402	378	1.49

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.397
P2	0.000	0.000	0.560
H3	0.000	-1.173	-1.686
H4	-1.016	0.587	-1.686
H5	1.016	0.587	-1.686
H6	0.000	1.245	1.216
H7	-1.078	-0.623	1.216
H8	1.078	-0.623	1.216

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9572	1.2082	1.2082	1.2082	2.8952	2.8952	2.8952
P2	1.9572		2.5336	2.5336	2.5336	1.4076	1.4076	1.4076
H3	1.2082	2.5336		2.0322	2.0322	3.7777	3.1446	3.1446
H4	1.2082	2.5336	2.0322		2.0322	3.1446	3.1446	3.7777
H5	1.2082	2.5336	2.0322	2.0322		3.1446	3.7777	3.1446
H6	2.8952	1.4076	3.7777	3.1446	3.1446		2.1564	2.1564
H7	2.8952	1.4076	3.1446	3.1446	3.7777	2.1564		2.1564
H8	2.8952	1.4076	3.1446	3.7777	3.1446	2.1564	2.1564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.807	B1	P2	H7	117.807
B1	P2	H8	117.807	P2	B1	H3	103.807
P2	B1	H4	103.807	P2	B1	H5	103.807
H3	B1	H4	114.492	H3	B1	H5	114.492
H4	B1	H5	114.492	H6	P2	H7	99.996
H6	P2	H8	99.996	H7	P2	H8	99.996

All results from a given calculation for BH₃PH₃ (borane phosphine)

using model chemistry: MP3/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for BH3PH3 (borane phosphine)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for BH₃PH₃ (borane phosphine)